2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide

C11H14N4O — CID 62161601

IUPAC2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide
SMILESCCN(CCC#N)C(=O)c1cccnc1N
InChIInChI=1S/C11H14N4O/c1-2-15(8-4-6-12)11(16)9-5-3-7-14-10(9)13/h3,5,7H,2,4,8H2,1H3,(H2,13,14)
InChIKeyRZOQOCZSBGAEEY-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.04
Rot. Bonds4

About 2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide

2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide (PubChem CID 62161601) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide
PubChem CID62161601
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide
SMILESCCN(CCC#N)C(=O)c1cccnc1N
InChIInChI=1S/C11H14N4O/c1-2-15(8-4-6-12)11(16)9-5-3-7-14-10(9)13/h3,5,7H,2,4,8H2,1H3,(H2,13,14)
InChIKeyRZOQOCZSBGAEEY-UHFFFAOYSA-N
XLogP1.04
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62875482
2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide
CID 62152670
2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide
CID 62186486
3-amino-2-bromo-N-(2-cyanoethyl)-N-ethylbenzamide
CID 113366975
2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 62161459
2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide
CID 104589851
N-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107521854
N-(2-cyanoethyl)-2-hydrazinyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62236256
5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide
CID 102705262
5-amino-N-(2-cyanoethyl)-N-ethylpyrazine-2-carboxamide
CID 107375045
N,N-bis(2-cyanoethyl)-2-ethoxybenzamide
CID 2207652
2-amino-N-cyclopropyl-N-ethylpyridine-3-carboxamide
CID 62155108

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide (CID 62161601) is 2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide is CCN(CCC#N)C(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide?
The InChIKey is RZOQOCZSBGAEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-15(8-4-6-12)11(16)9-5-3-7-14-10(9)13/h3,5,7H,2,4,8H2,1H3,(H2,13,14).
What are the key properties of 2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide?
2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 62161601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).